[
  {
    "molid": "mol8855",
    "smiles": "NNc1ccc(I)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NNc1ccc(I)cc1",
        "std_free_energy": -5.426976203918457,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "N[NH2+]c1ccc(I)cc1",
        "std_free_energy": -0.21560367941856384,
        "relative_population": 0.372473583934778
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "[NH3+]Nc1ccc(I)cc1",
        "std_free_energy": -0.7372233271598816,
        "relative_population": 0.6275264160652221
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.9,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]